Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H11N

Suppliers	Catalog Number
Matrix Scientific	068869
Enamine	EN300-79024
Bide Pharmatech	BD76112

Database	Data ID
PubChem	69523

M. W.

121.17964

CAS

644-98-4

Similarity

N/A

ID: 63552

4-phenyl-3,6-dihydro-2H-pyran

$$$$ Data

M. F.

C11H12O

Suppliers	Catalog Number
Matrix Scientific	068870

Database	Data ID
PubChem	12381642

M. W.

160.21238

CAS

3174-81-0

Similarity

N/A

ID: 63553

(2E)-3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid

$$$$ Data

M. F.

C9H8O5

Suppliers	Catalog Number
Matrix Scientific	068871

Database	Data ID
PubChem	21889163

M. W.

196.15682

CAS

13058-13-4

Similarity

N/A

ID: 63554

4-chloro-2-phenylpyrimidine

$$$$ Data More

M. F.

C10H7ClN2

Suppliers	Catalog Number
ChemBridge	5339967
Matrix Scientific	068872
Enamine	EN300-65850

Database	Data ID
PubChem	259157

M. W.

190.62898

CAS

14790-42-2

Similarity

N/A

ID: 63555

3-bromo-6-methylpyridine-2-carbonitrile

$$$$ Data

M. F.

C7H5BrN2

Suppliers	Catalog Number
Matrix Scientific	068873
Apollo Scientific	OR5836

Database	Data ID
PubChem	21952747

M. W.

197.032

CAS

717843-48-6

Similarity

N/A

ID: 63556

5-bromo-4-chloropyridin-2-amine

$$$$ Data

M. F.

C5H4BrClN2

Suppliers	Catalog Number
Matrix Scientific	068874
Bide Pharmatech	BD160536
A&J Pharmtech	AJA-O38

Database	Data ID
PubChem	44181812

M. W.

207.45566

CAS

942947-94-6

Similarity

N/A

ID: 63557

1-(5-fluoropyridin-2-yl)ethan-1-amine

$$$$ Data

M. F.

C7H9FN2

Suppliers	Catalog Number
Matrix Scientific	068875
Bide Pharmatech	BD212019

Database	Data ID
PubChem	57415824

M. W.

140.1581632

CAS

915720-57-9

Similarity

N/A

ID: 63558

ethyl 2-chloro-5-fluoropyridine-3-carboxylate

$$$$ Data

M. F.

C8H7ClFNO2

Suppliers	Catalog Number
Matrix Scientific	068876
Apollo Scientific	PC48412

Database	Data ID
PubChem	11390082

M. W.

203.5980832

CAS

139911-30-1

Similarity

N/A

ID: 63559

tert-butyl 2-chloropyridine-4-carboxylate

$$$$ Data

M. F.

C10H12ClNO2

Suppliers	Catalog Number
Matrix Scientific	068877
Enamine	EN300-127861
Bide Pharmatech	BD11965

Database	Data ID
PubChem	2762480

M. W.

213.66078

CAS

295349-62-1

Similarity

N/A

ID: 63560

5-methoxy-1H-pyrazol-3-amine

$$$$ Data

M. F.

C4H7N3O

Suppliers	Catalog Number
Matrix Scientific	068878
TRC	M226600

Database	Data ID
PubChem	14388559

M. W.

113.11788

CAS

41307-23-7

Similarity

N/A

ID: 63561

(5-fluoropyridin-2-yl)methanol

$$$$ Data

M. F.

C6H6FNO

Suppliers	Catalog Number
Matrix Scientific	068879
Bide Pharmatech	BD103960

Database	Data ID
PubChem	24729312

M. W.

127.1163432

CAS

802325-29-7

Similarity

N/A

ID: 63562

1-azido-2,3,5-triiodobenzene

$$$$ Data

M. F.

C6H2I3N3

Suppliers	Catalog Number
Matrix Scientific	068881

Database	Data ID
PubChem	66521700

M. W.

496.81359

CAS

1313738-68-9

Similarity

N/A

ID: 63563

tert-butyl N-[(1r,3r)-3-aminocyclobutyl]carbamate

$$$$ Data

M. F.

C9H18N2O2

Suppliers	Catalog Number
Matrix Scientific	068882
Enamine	EN300-53089

Database	Data ID
PubChem	16228707

M. W.

186.25142

CAS

871014-19-6

Similarity

N/A

ID: 63564

7,8-dihydroxy-2H-chromen-2-one

$$$$ Data More

M. F.

C9H6O4

Suppliers	Catalog Number
Selleck Chemicals	S2554
Sigma Aldrich	D5564 630764
Matrix Scientific	068883

Database	Data ID
PubChem	5280569

M. W.

178.14154

CAS

486-35-1

Similarity

N/A

ID: 63565

1H-1,2,4-triazole-3-sulfonamide

$$$$ Data

M. F.

C2H4N4O2S

Suppliers	Catalog Number
Matrix Scientific	068884
Enamine	EN300-128143

Database	Data ID
PubChem	21797096

M. W.

148.14376

CAS

89517-96-4

Similarity

N/A

ID: 63566

4-(aminomethyl)-1$l^{6}-thiane-1,1-dione

$$$$ Data

M. F.

C6H13NO2S

Suppliers	Catalog Number
ChemBridge	4018202
Matrix Scientific	068885
A&J Pharmtech	AJA-O14062

Database	Data ID
PubChem	47000752

M. W.

163.23792

CAS

476660-77-2

Similarity

N/A

ID: 63567

5-fluoropyrimidine-2-carbonitrile

$$$$ Data More

M. F.

C5H2FN3

Suppliers	Catalog Number
Matrix Scientific	068886
Chemik	CHH06015
Bide Pharmatech	BD78545

Database	Data ID
PubChem	44181867

M. W.

123.0878832

CAS

38275-55-7

Similarity

N/A

ID: 63568

5-bromopyrimidine-2-carbonitrile

$$$$ Data More

M. F.

C5H2BrN3

Suppliers	Catalog Number
Matrix Scientific	068887
Apollo Scientific	OR3247
Enamine	EN300-99311

Database	Data ID
PubChem	686546

M. W.

183.99348

CAS

38275-57-9

Similarity

N/A

ID: 63569

6-fluoropyridazine-3-carbonitrile

$$$$ Data

M. F.

C5H2FN3

Suppliers	Catalog Number
Matrix Scientific	068888

Database	Data ID
PubChem	57415865

M. W.

123.0878832

CAS

1313738-70-3

Similarity

N/A

ID: 63570

4-ethyl-5-fluoropyrimidine

$$$$ Data

M. F.

C6H7FN2

Suppliers	Catalog Number
Matrix Scientific	068889
Chemik	CHH06006
Bide Pharmatech	BD3780

Database	Data ID
PubChem	19074919

M. W.

126.1315832

CAS

137234-88-9

Similarity

N/A

ID: 63571

1-methyl-1H-imidazole-2-carboximidamide hydrochloride

$$$$ Data

M. F.

C5H9ClN4

Suppliers	Catalog Number
Matrix Scientific	068890

Database	Data ID
PubChem	57415861

M. W.

160.60476

CAS

212558-23-1

Similarity

N/A

ID: 63572

1-methyl-1H-imidazole-2-carbonitrile

$$$$ Data More

M. F.

C5H5N3

Suppliers	Catalog Number
ChemBridge	4035968
Matrix Scientific	068891
Enamine	EN300-114245

Database	Data ID
PubChem	10953443

M. W.

107.1133

CAS

45515-45-5

Similarity

N/A

ID: 63573

ethyl azetidine-3-carboxylate hydrochloride

$$$$ Data

M. F.

C6H12ClNO2

Suppliers	Catalog Number
Matrix Scientific	068892

Database	Data ID
PubChem	44828820

M. W.

165.61798

CAS

405090-31-5

Similarity

N/A

ID: 63574

5-(trifluoromethyl)-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C10H6F3NO2

Suppliers	Catalog Number
Matrix Scientific	068893
A&J Pharmtech	AJA-O14267

Database	Data ID
PubChem	17389891

M. W.

229.1553496

CAS

496946-78-2

Similarity

N/A

ID: 63575

pyrrolidin-3-ol

$$$$ Data

M. F.

C4H9NO

Suppliers	Catalog Number
Sigma Aldrich	P74354 83250
Matrix Scientific	068894

Database	Data ID
PubChem	98210

M. W.

87.12036

CAS

40499-83-0

Similarity

N/A

ID: 63576

3-(aminomethyl)-N,N-dibenzyloxetan-3-amine

$$$$ Data

M. F.

C18H22N2O

Suppliers	Catalog Number
Matrix Scientific	068895
A&J Pharmtech	AJA-O723

Database	Data ID
PubChem	57415821

M. W.

282.38008

CAS

1021392-84-6

Similarity

N/A

ID: 63577

7-bromo-5H-pyrrolo[2,3-b]pyrazine

$$$$ Data

M. F.

C6H4BrN3

Suppliers	Catalog Number
Matrix Scientific	068896
Bide Pharmatech	BD85013
A&J Pharmtech	AJA-O20655

Database	Data ID
PubChem	12207193

M. W.

198.02006

CAS

56015-31-7

Similarity

N/A

ID: 63578

methyl 3-chloropyrazine-2-carboxylate

$$$$ Data More

M. F.

C6H5ClN2O2

Suppliers	Catalog Number
Matrix Scientific	068897
TRC	C379905
Bide Pharmatech	BD28249

Database	Data ID
PubChem	1519497

M. W.

172.5691

CAS

27825-21-4

Similarity

N/A

ID: 63579

5-chloropyrazin-2-amine

$$$$ Data More

M. F.

C4H4ClN3

Suppliers	Catalog Number
Matrix Scientific	068898
Apollo Scientific	OR61102
Bide Pharmatech	BD28398

Database	Data ID
PubChem	12808419

M. W.

129.54766

CAS

33332-29-5

Similarity

N/A

ID: 63580

3,6-dibromopyrazin-2-amine

$$$$ Data More

M. F.

C4H3Br2N3

Suppliers	Catalog Number
Alfa Aesar	H59185
Matrix Scientific	068899
Bide Pharmatech	BD161364

Database	Data ID
PubChem	51051665

M. W.

252.89472

CAS

957230-70-5

Similarity

N/A

ID: 63581

3-bromo-5H-pyrrolo[2,3-b]pyrazine

$$$$ Data

M. F.

C6H4BrN3

Suppliers	Catalog Number
Matrix Scientific	068900

Database	Data ID
PubChem	57415839

M. W.

198.02006

CAS

1260665-49-3

Similarity

N/A

ID: 63582

methyl 6-chloropyrazine-2-carboxylate

$$$$ Data More

M. F.

C6H5ClN2O2

Suppliers	Catalog Number
ChemBridge	4028395
Matrix Scientific	068901
Enamine	EN300-95754

Database	Data ID
PubChem	11084353

M. W.

172.5691

CAS

23611-75-8

Similarity

N/A

ID: 63583

2,8-dihydro-1,8-naphthyridin-2-one

$$$$ Data

M. F.

C8H6N2O

Suppliers	Catalog Number
Matrix Scientific	068902

Database	Data ID
PubChem	299643

M. W.

146.14604

CAS

15936-09-1

Similarity

N/A

ID: 63584

1,2,3,4-tetrahydro-1,8-naphthyridin-2-one

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Matrix Scientific	068903
A&J Pharmtech	AJA-O32561

Database	Data ID
PubChem	15926040

M. W.

148.16192

CAS

40000-79-1

Similarity

N/A

ID: 63585

azetidine-2-carboxylic acid

$$$$ Data More

M. F.

C4H7NO2

Suppliers	Catalog Number
Matrix Scientific	068904 073153
TRC	A812490
Enamine	EN300-24071

Database	Data ID
PubChem	17288

M. W.

101.10388

CAS

2517-04-6

Similarity

N/A

ID: 63586

7-fluoro-1H-indol-5-amine

$$$$ Data

M. F.

C8H7FN2

Suppliers	Catalog Number
Matrix Scientific	068905

Database	Data ID
PubChem	57415830

M. W.

150.1529832

CAS

926028-84-4

Similarity

N/A

ID: 63587

6-chloro-1H,2H,3H-pyrrolo[3,2-b]pyridin-2-one

$$$$ Data

M. F.

C7H5ClN2O

Suppliers	Catalog Number
Matrix Scientific	068906

Database	Data ID
PubChem	10487323

M. W.

168.5804

CAS

136888-12-5

Similarity

N/A

ID: 63588

3-(dibenzylamino)oxetane-3-carbonitrile

$$$$ Data

M. F.

C18H18N2O

Suppliers	Catalog Number
Matrix Scientific	068907

Database	Data ID
PubChem	57415901

M. W.

278.34832

CAS

1021393-00-9

Similarity

N/A

ID: 63589

3-aminooxolane-3-carboxylic acid

$$$$ Data More

M. F.

C5H9NO3

Suppliers	Catalog Number
Matrix Scientific	068908
Enamine	EN300-75038
Bide Pharmatech	BD17873

Database	Data ID
PubChem	543662

M. W.

131.12986

CAS

125218-55-5

Similarity

N/A

ID: 63590

oxane-3-carboxylic acid

$$$$ Data More

M. F.

C6H10O3

Suppliers	Catalog Number
Matrix Scientific	068909
Enamine	EN300-44033
Bide Pharmatech	BD29792

Database	Data ID
PubChem	16767361

M. W.

130.1418

CAS

873397-34-3

Similarity

N/A

ID: 63591

(1s,4s)-7-azabicyclo[2.2.1]heptane

$$$$ Data

M. F.

C6H11N

Suppliers	Catalog Number
Matrix Scientific	068910

Database	Data ID
PubChem	136093

M. W.

97.15824

CAS

279-40-3

Similarity

N/A

ID: 63592

4-bromo-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine

$$$$ Data

M. F.

C14H11BrN2O2S

Suppliers	Catalog Number
Matrix Scientific	068911
Bide Pharmatech	BD165424

Database	Data ID
PubChem	37818649

M. W.

351.21834

CAS

348640-07-3

Similarity

N/A

ID: 63593

4-amino-6-chloropyrimidine-5-carbonitrile

$$$$ Data

M. F.

C5H3ClN4

Suppliers	Catalog Number
Matrix Scientific	068912
Bide Pharmatech	BD158027
A&J Pharmtech	AJA-O25691

Database	Data ID
PubChem	12278262

M. W.

154.55712

CAS

60025-09-4

Similarity

N/A

ID: 63594

(1R,5S)-8-azabicyclo[3.2.1]octan-3-one hydrochloride

$$$$ Data

M. F.

C7H12ClNO

Suppliers	Catalog Number
Matrix Scientific	068913

Database	Data ID
PubChem	44119561

M. W.

161.62928

CAS

25602-68-0

Similarity

N/A

ID: 63595

(1R,3R,5S)-8-azabicyclo[3.2.1]octan-3-ol

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
Matrix Scientific	068914

Database	Data ID
PubChem	73480

M. W.

127.18422

CAS

538-09-0

Similarity

N/A

ID: 63596

(5-fluoropyridin-3-yl)methanol

$$$$ Data

M. F.

C6H6FNO

Suppliers	Catalog Number
Matrix Scientific	068915

Database	Data ID
PubChem	152449

M. W.

127.1163432

CAS

22620-32-2

Similarity

N/A

ID: 63597

(2S)-azetidine-2-carboxylic acid

$$$$ Data More

M. F.

C4H7NO2

Suppliers	Catalog Number
Sigma Aldrich	A0760 11542
Alfa Aesar	L09668
Matrix Scientific	068916

Database	Data ID
Wikipedia	Azetidine-2-carboxylic_acid
PubChem	16486

M. W.

101.10388

CAS

2133-34-8

Similarity

N/A

ID: 63598

(2R)-azetidine-2-carboxylic acid

$$$$ Data

M. F.

C4H7NO2

Suppliers	Catalog Number
Matrix Scientific	068917
TRC	A812500 A812480
Bide Pharmatech	BD2347

Database	Data ID
PubChem	637601

M. W.

101.10388

CAS

2133-34-8

Similarity

N/A

ID: 63599

tert-butyl N-(6-oxopiperidin-3-yl)carbamate

$$$$ Data

M. F.

C10H18N2O3

Suppliers	Catalog Number
Matrix Scientific	068918
Enamine	EN300-119635

Database	Data ID
PubChem	57415846

M. W.

214.26152

CAS

1245646-80-3

Similarity

N/A

ID: 63600

methyl 2-amino-2-(oxan-4-yl)acetate

$$$$ Data

M. F.

C8H15NO3

Suppliers	Catalog Number
Matrix Scientific	068919
A&J Pharmtech	AJA-O34867

Database	Data ID
PubChem	24729653

M. W.

173.2096

CAS

477585-43-6

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified